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BDBM50112208 CHEMBL300728::N-(2-(2-iodo-5-methoxy-1-methyl-4-nitro-1H-indol-3-yl)ethyl)acetamide::N-[2-(2-Iodo-5-methoxy-1-methyl-4-nitro-1H-indol-3-yl)-ethyl]-acetamide

SMILES: COc1ccc2n(C)c(I)c(CCNC(C)=O)c2c1[N+]([O-])=O

InChI Key: InChIKey=UQHYISIQVCWLMH-UHFFFAOYSA-N

Data: 4 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50112208   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50112208
PNG
(CHEMBL300728 | N-(2-(2-iodo-5-methoxy-1-methyl-4-n...)
Show SMILES COc1ccc2n(C)c(I)c(CCNC(C)=O)c2c1[N+]([O-])=O
Show InChI InChI=1S/C14H16IN3O4/c1-8(19)16-7-6-9-12-10(17(2)14(9)15)4-5-11(22-3)13(12)18(20)21/h4-5H,6-7H2,1-3H3,(H,16,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.130n/an/an/an/an/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Inhibition of 2-[125I]iodomelatonin binding to Melatonin receptor 3 (MT3) of Syrian hamster brain membrane


Citation and Details
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50112208
PNG
(CHEMBL300728 | N-(2-(2-iodo-5-methoxy-1-methyl-4-n...)
Show SMILES COc1ccc2n(C)c(I)c(CCNC(C)=O)c2c1[N+]([O-])=O
Show InChI InChI=1S/C14H16IN3O4/c1-8(19)16-7-6-9-12-10(17(2)14(9)15)4-5-11(22-3)13(12)18(20)21/h4-5H,6-7H2,1-3H3,(H,16,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Binding affinity to human low affinity melatonin (MT3) site of quinone reductase 2


Eur J Med Chem 46: 1622-9 (2011)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50112208
PNG
(CHEMBL300728 | N-(2-(2-iodo-5-methoxy-1-methyl-4-n...)
Show SMILES COc1ccc2n(C)c(I)c(CCNC(C)=O)c2c1[N+]([O-])=O
Show InChI InChI=1S/C14H16IN3O4/c1-8(19)16-7-6-9-12-10(17(2)14(9)15)4-5-11(22-3)13(12)18(20)21/h4-5H,6-7H2,1-3H3,(H,16,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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PubMed
39n/an/an/an/an/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Inhibition of 2-[125I]iodomelatonin binding to human Melatonin receptor type 1B expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50112208
PNG
(CHEMBL300728 | N-(2-(2-iodo-5-methoxy-1-methyl-4-n...)
Show SMILES COc1ccc2n(C)c(I)c(CCNC(C)=O)c2c1[N+]([O-])=O
Show InChI InChI=1S/C14H16IN3O4/c1-8(19)16-7-6-9-12-10(17(2)14(9)15)4-5-11(22-3)13(12)18(20)21/h4-5H,6-7H2,1-3H3,(H,16,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.88E+3n/an/an/an/an/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Inhibition of 2-[125I]iodomelatonin binding to human Melatonin receptor type 1A expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50112208
PNG
(CHEMBL300728 | N-(2-(2-iodo-5-methoxy-1-methyl-4-n...)
Show SMILES COc1ccc2n(C)c(I)c(CCNC(C)=O)c2c1[N+]([O-])=O
Show InChI InChI=1S/C14H16IN3O4/c1-8(19)16-7-6-9-12-10(17(2)14(9)15)4-5-11(22-3)13(12)18(20)21/h4-5H,6-7H2,1-3H3,(H,16,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.129n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells


Eur J Med Chem 43: 2861-9 (2008)

More data for this
Ligand-Target Pair